Compound Identification
SMILES
[H+].[H+].[Fe++].CN1C=CN=C1.CC1=C(CCC([O-])=O)C2=CC3=C(CCC([O-])=O)C(C)=C([N-]3)C=C3N=C(C=C4N=C(C=C1[N-]2)C(C=C)=C4C)C(C=C)=C3C
InChIKey
InChIKey=XUKPQCDEUBPBNI-UHFFFAOYSA-L
Formula
C38H38FeN6O4
Mass
698.605
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Tetrapyrroles and derivatives
-
Subclass
Metallotetrapyrroles
- Level 5 Metalloporphyrins
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Subclass
Metallotetrapyrroles
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Class
Tetrapyrroles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Tetrapyrroles and derivatives
Subclass
Metallotetrapyrroles
Intermediate Tree Nodes
Not available
Direct Parent
Metalloporphyrins
Alternative Parents
Porphyrins Substituted pyrroles N-substituted imidazoles Dicarboxylic acids and derivatives Heteroaromatic compounds Organic transition metal salts Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Metalloporphyrin - Porphyrin - Substituted pyrrole - N-substituted imidazole - Dicarboxylic acid or derivatives - Heteroaromatic compound - Pyrrole - Imidazole - Azole - Azacycle - Organic transition metal salt - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as metalloporphyrins. These are polycyclic compounds containing a porphyrin moiety and a metal atom.
External Descriptors
Not available